2-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide

C11H15N5S — CID 113296606

IUPAC2-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide
SMILESCC(CN(C)c1ccn2nccc2n1)C(N)=S
InChIInChI=1S/C11H15N5S/c1-8(11(12)17)7-15(2)9-4-6-16-10(14-9)3-5-13-16/h3-6,8H,7H2,1-2H3,(H2,12,17)
InChIKeyVCDRWRIIMVRLRG-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.09
Rot. Bonds4

About 2-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide

2-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide (PubChem CID 113296606) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide.

Molecular Properties

Compound Name2-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide
PubChem CID113296606
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name2-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide
SMILESCC(CN(C)c1ccn2nccc2n1)C(N)=S
InChIInChI=1S/C11H15N5S/c1-8(11(12)17)7-15(2)9-4-6-16-10(14-9)3-5-13-16/h3-6,8H,7H2,1-2H3,(H2,12,17)
InChIKeyVCDRWRIIMVRLRG-UHFFFAOYSA-N
XLogP1.09
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N',2-dimethyl-N'-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine
CID 115372172
3-[cyclopropyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide
CID 115372209
2-[propan-2-yl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethanol
CID 115372880
N'-ethyl-2-methyl-N'-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine
CID 115372171
2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol
CID 114243521
N'-ethyl-N'-pyrazolo[1,5-a]pyrimidin-5-ylethane-1,2-diamine
CID 115373260
3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide
CID 54992223
N-[2-(aminomethyl)cyclohexyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372794
methyl 2-[(2-methoxy-2-oxoethyl)-pyrazolo[1,5-a]pyrimidin-5-ylamino]acetate
CID 115372990
N-[3-(aminomethyl)phenyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372174
2-methyl-3-[methyl(quinazolin-2-yl)amino]propanethioamide
CID 114788724
3-[(1-ethylimidazol-2-yl)-methylamino]-2-methylpropanethioamide
CID 62138954

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide?
The IUPAC name of 2-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide (CID 113296606) is 2-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide.
What is the SMILES notation for 2-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide?
The canonical SMILES for 2-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide is CC(CN(C)c1ccn2nccc2n1)C(N)=S.
What is the InChIKey of 2-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide?
The InChIKey is VCDRWRIIMVRLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-8(11(12)17)7-15(2)9-4-6-16-10(14-9)3-5-13-16/h3-6,8H,7H2,1-2H3,(H2,12,17).
What are the key properties of 2-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide?
2-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide has a molecular weight of 249.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide is sourced from PubChem (CID 113296606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).